LAMMPS (15 Sep 2022)
  using 1 OpenMP thread(s) per MPI task
# Vesicle demo

variable     T  equal  0.2
variable     LD equal  1.0

units        lj
atom_style   ellipsoid

boundary     p p p

read_data    read_data.vesicle1026
Reading data file ...
  orthogonal box = (-35 -35 -35) to (35 35 35)
  1 by 2 by 2 MPI processor grid
  reading atoms ...
  2938 atoms
  2938 ellipsoids
  read_data CPU = 0.137 seconds

compute      ali  all temp/com
compute      rott all temp/asphere bias ali

velocity     all create ${T} 87287 loop geom
velocity     all create 0.2 87287 loop geom

pair_style   ylz  2.6
pair_coeff   *  *   1.0  1.0  4  3  0.0  2.6
neighbor     1.0 bin

thermo_style custom step temp press pxx pyy
thermo       200

timestep     0.001

#dump         1 all atom 10 onlymembrane2.lammpstrj

fix          1 all langevin ${T} ${T}  ${LD}  48279
fix          1 all langevin 0.2 ${T}  ${LD}  48279
fix          1 all langevin 0.2 0.2  ${LD}  48279
fix          1 all langevin 0.2 0.2  1  48279
fix          2 all nve/asphere

run          3000

CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE

Your simulation uses code contributions which should be cited:

- pair ylz command:

@Article{Yuan10,
 author =  {H. Yuan, C. Huang, J. Li, G. Lykotrafitis, and S. Zhang},
 title =   {One-particle-thick, solvent-free, coarse-grained model for biological and biomimetic fluid membranes},
 journal = {Phys. Rev. E},
 year =    2010,
 volume =  82,
 pages =   {011905}
}

CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE

Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update: every = 1 steps, delay = 10 steps, check = yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 3.6
  ghost atom cutoff = 3.6
  binsize = 1.8, bins = 39 39 39
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair ylz, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.899 | 4.9 | 4.902 Mbytes
   Step          Temp          Press           Pxx            Pyy      
         0   0.2           -0.0054891414  -0.0052713616  -0.0053641136 
       200   0.12893798    -0.0051492794  -0.0048734875  -0.0049624005 
       400   0.13798694    -0.004875313   -0.0047071897  -0.0049305051 
       600   0.14725193    -0.0046349542  -0.004719983   -0.0045791451 
       800   0.16146954    -0.0042232199  -0.0040789193  -0.0043672895 
      1000   0.17268468    -0.0037146703  -0.0036270393  -0.0039169034 
      1200   0.18266242    -0.0032749755  -0.0032971704  -0.0033323855 
      1400   0.18500165    -0.0028179031  -0.0030659821  -0.0027519633 
      1600   0.19513132    -0.0023407512  -0.0025109801  -0.0023416835 
      1800   0.19645259    -0.0019995412  -0.0019064341  -0.0021757747 
      2000   0.19658104    -0.0015897919  -0.0015850523  -0.0016828478 
      2200   0.1989936     -0.0011794062  -0.0011779716  -0.0012070706 
      2400   0.20011525    -0.0009147432  -0.00094040885 -0.001073922  
      2600   0.2013975     -0.00059253676 -0.00051920304 -0.00075138934
      2800   0.19715513    -0.00020995605 -0.00024386426 -0.0005475745 
      3000   0.1976782     -0.0001308553   5.693004e-05  -0.00034478469
Loop time of 8.46954 on 4 procs for 3000 steps with 2938 atoms

Performance: 30603.800 tau/day, 354.211 timesteps/s
77.9% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 2.1751     | 2.4162     | 2.6707     |  13.2 | 28.53
Neigh   | 0.0090503  | 0.0098389  | 0.010503   |   0.6 |  0.12
Comm    | 3.5807     | 4.1526     | 4.9283     |  24.3 | 49.03
Output  | 0.00032165 | 0.0029648  | 0.010842   |   8.4 |  0.04
Modify  | 0.34554    | 0.37442    | 0.39198    |   2.8 |  4.42
Other   |            | 1.514      |            |       | 17.87

Nlocal:          734.5 ave         739 max         730 min
Histogram: 1 0 1 0 0 0 0 1 0 1
Nghost:         420.25 ave         424 max         415 min
Histogram: 1 0 0 0 0 1 0 1 0 1
Neighs:        18304.5 ave       19839 max       16636 min
Histogram: 1 0 0 0 1 0 1 0 0 1

Total # of neighbors = 73218
Ave neighs/atom = 24.921035
Neighbor list builds = 25
Dangerous builds = 0

Total wall time: 0:00:08
